(E)-but-2-enehydrazide

C4H8N2O — CID 5354082

IUPAC(E)-but-2-enehydrazide
SMILESC/C=C/C(=O)NN
InChIInChI=1S/C4H8N2O/c1-2-3-4(7)6-5/h2-3H,5H2,1H3,(H,6,7)/b3-2+
InChIKeyMTANTOSWGQDIGK-NSCUHMNNSA-N
MW100.12 g/mol
LogP-0.45
Rot. Bonds1

About (E)-but-2-enehydrazide

(E)-but-2-enehydrazide (PubChem CID 5354082) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (E)-but-2-enehydrazide.

Molecular Properties

Compound Name(E)-but-2-enehydrazide
PubChem CID5354082
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(E)-but-2-enehydrazide
SMILESC/C=C/C(=O)NN
InChIInChI=1S/C4H8N2O/c1-2-3-4(7)6-5/h2-3H,5H2,1H3,(H,6,7)/b3-2+
InChIKeyMTANTOSWGQDIGK-NSCUHMNNSA-N
XLogP-0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enehydrazide?
The IUPAC name of (E)-but-2-enehydrazide (CID 5354082) is (E)-but-2-enehydrazide.
What is the SMILES notation for (E)-but-2-enehydrazide?
The canonical SMILES for (E)-but-2-enehydrazide is C/C=C/C(=O)NN.
What is the InChIKey of (E)-but-2-enehydrazide?
The InChIKey is MTANTOSWGQDIGK-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3-4(7)6-5/h2-3H,5H2,1H3,(H,6,7)/b3-2+.
What are the key properties of (E)-but-2-enehydrazide?
(E)-but-2-enehydrazide has a molecular weight of 100.12 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enehydrazide is sourced from PubChem (CID 5354082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).